EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:169158 - Erosnin

ChEBI IDCHEBI:169158
ChEBI NameErosnin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H8O6
Net Charge0
Average Mass320.256
Monoisotopic Mass320.03209
SMILESO=c1oc2cc3occc3cc2c2oc3cc4c(cc3c12)OCO4
InChIInChI=1S/C18H8O6/c19-18-16-9-4-14-15(22-7-21-14)6-12(9)23-17(16)10-3-8-1-2-20-11(8)5-13(10)24-18/h1-6H,7H2
InChIKeyYQXNKHVPEJJBTJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Erosnin (CHEBI:169158) is a coumestans (CHEBI:72577)
IUPAC Name 
7,11,17,19,23-pentaoxahexacyclo[11.10.0.02,10.04,8.014,22.016,20]tricosa-1(13),2(10),3,5,8,14,16(20),21-octaen-12-one
Manual XrefsDatabases
HMDB0029465HMDB
LMPK12090021LIPID MAPS
4476095ChemSpider